1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine

C13H11FN4O — CID 110168782

IUPAC1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C13H11FN4O/c1-19-13-10-6-17-18(12(10)15-8-16-13)7-9-4-2-3-5-11(9)14/h2-6,8H,7H2,1H3
InChIKeyGMWNYBXVYSKICB-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.02
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine

1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine (PubChem CID 110168782) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
PubChem CID110168782
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C13H11FN4O/c1-19-13-10-6-17-18(12(10)15-8-16-13)7-9-4-2-3-5-11(9)14/h2-6,8H,7H2,1H3
InChIKeyGMWNYBXVYSKICB-UHFFFAOYSA-N
XLogP2.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidine
CID 110168793
10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 14953221
1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidin-4-amine
CID 56605415
1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63276712
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43552162
1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 27825659
1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63276754
1-[(2-fluorophenyl)methyl]-6-propylpyrazolo[4,5-c]pyridine
CID 123808215
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 42391287
N-tert-butyl-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601514
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
CID 135270578

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine (CID 110168782) is 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine is COc1ncnc2c1cnn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
The InChIKey is GMWNYBXVYSKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-19-13-10-6-17-18(12(10)15-8-16-13)7-9-4-2-3-5-11(9)14/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine?
1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine has a molecular weight of 258.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).